NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 H 4.8621 8.3033 116.3030 55.6141 29.9762 174.4569 -8 H 4.0110 8.1114 118.4122 59.1167 29.4681 175.1374 -7 H 4.2811 9.2038 120.9412 59.7261 29.5578 176.6740 -6 E 4.0812 8.3150 119.5119 59.4543 29.3374 178.9139 -5 N 4.7060 8.3511 116.5506 56.2076 38.0371 177.2560 -4 L 4.1205 7.9294 120.3148 57.8944 41.4112 178.5780 -3 Y 3.6352 7.4784 117.9523 60.1551 38.5544 177.4679 -2 F 4.7638 8.2287 117.4262 58.5979 40.4417 177.6422 -1 Q 4.3247 7.6643 116.7049 59.1383 28.3278 178.8204 0 G 3.8971 7.5799 104.8657 45.2788 0.0000 174.1249 -7 K 3.8711 9.0738 123.1412 60.9261 33.6578 179.1740 -6 R 4.0712 8.1250 119.8119 58.8543 30.3374 178.6139 -5 A 4.2860 8.1911 121.6506 55.6076 18.2371 179.8560 -4 L 4.1205 7.9294 120.3148 57.8944 41.4112 178.5780 -3 E 3.4352 7.7784 117.8523 58.8551 30.6544 178.1679 -2 F 4.7638 8.2287 117.4262 58.5979 40.4417 177.6422 -1 L 4.3247 7.5043 118.7049 58.5383 41.3278 180.4204 0 K 4.2571 7.5399 116.4657 56.3788 32.2957 175.8250 10 E 4.0618 7.8831 117.6903 59.3885 29.4482 178.6886 11 C 4.3039 7.7017 115.8290 62.3551 28.4930 173.5093 12 G 3.9454 8.6805 112.5551 44.0866 0.0000 171.8529 13 V 4.4964 7.4558 119.6671 60.5054 33.6419 174.8471 14 F 5.3157 8.3416 121.6791 55.5787 42.4707 172.5380 15 Y 4.9932 9.6337 116.0201 56.0872 41.2333 174.7473 16 L 5.0838 8.8326 126.2792 53.2878 44.4869 174.5824 17 A 5.4024 9.2332 129.0908 50.5710 21.5606 175.5570 18 T 5.0059 8.9292 111.9215 59.9853 72.8880 172.1473 19 N 5.3393 8.6313 117.7382 51.5938 41.5755 175.1225 20 E 4.4524 9.1760 123.6696 54.7950 30.7842 177.3887 21 G 3.7334 7.9423 118.0820 46.7175 0.0000 172.0378 22 D 4.5224 8.8824 124.1254 53.0801 39.6574 175.4550 23 Q 4.4009 7.9273 122.9119 53.9394 29.3632 172.9725 24 P 4.8886 0.0000 0.0000 62.9194 32.3034 176.2294 25 R 4.9302 9.2198 121.5037 54.5826 34.3047 174.7457 26 V 5.4796 8.5794 120.7728 60.1785 34.7323 174.0130 27 R 4.9638 8.4488 117.5071 54.4007 32.7664 172.0957 28 P 4.2892 0.0000 0.0000 62.7761 32.1855 175.4276 29 F 4.5672 9.0599 121.3989 55.4741 42.7325 175.9414 30 G 4.2769 8.2109 106.3282 44.2207 0.0000 172.1181 31 A 4.9553 7.9121 120.6181 50.8807 22.1198 176.3813 32 V 5.1876 8.3453 118.8982 60.8756 34.5335 173.1623 33 F 5.2817 9.0141 117.0356 55.9339 41.8435 172.4297 34 E 5.4270 9.0504 116.7314 54.9835 32.4403 175.1882 35 Y 4.5624 9.1798 122.3389 57.5975 41.9328 174.9705 36 E 3.9280 9.7733 129.0201 57.5957 27.1154 175.8431 37 G 4.3837 8.6572 103.8213 45.4590 0.0000 173.0100 38 K 4.6315 8.2097 118.8775 54.1974 35.0262 174.5613 39 L 5.0413 8.3447 123.5990 54.2987 43.6077 174.7628 40 Y 5.2886 9.0925 124.3598 56.1326 41.4303 174.6528 41 I 5.2475 8.9783 115.1608 59.4163 41.6635 174.2650 42 V 5.0744 8.5843 114.2924 60.4021 35.3104 175.6540 43 S 4.6843 8.6303 116.2511 57.9646 65.9930 172.3782 44 N 5.4130 8.5706 114.6311 51.1794 40.6610 174.6979 45 N 3.5370 9.0387 117.6643 53.8421 37.9729 176.2164 46 T 4.4229 8.4494 109.6115 62.2088 70.0391 175.7064 47 K 4.4073 7.8542 123.1958 55.5862 34.3728 177.6244 48 K 3.9710 8.7129 122.1497 59.9554 31.8120 179.1139 49 C 4.1625 8.1290 117.3658 62.4230 31.6267 174.9454 50 F 4.2412 8.2601 120.5542 61.3484 39.4110 176.6764 51 K 4.1588 8.2197 117.9869 59.4301 31.7135 179.9765 52 Q 3.9279 8.3357 116.6800 56.3125 28.2774 178.4676 *54 I 3.7999 7.6804 122.2045 61.4025 39.0676 177.1180 55 Q 3.9211 7.9128 119.9686 58.3295 28.9385 175.4603 56 N 4.7104 8.1976 116.5707 51.0737 40.6539 171.9458 57 P 4.3275 0.0000 0.0000 64.2112 32.6105 176.2005 58 K 4.6625 8.0068 121.6429 56.6286 32.6151 176.7732 59 V 4.7529 8.9152 117.4385 59.8244 36.9751 173.7725 60 E 5.1717 8.9433 121.2216 54.8632 33.3486 173.8898 61 I 5.2329 9.1253 126.4402 59.8185 40.5655 174.5631 62 S 5.4739 8.5218 119.0626 56.3828 66.4764 173.2356 63 G 4.3084 8.5525 109.0095 47.0905 0.0000 170.3302 *65 N 4.7840 8.6638 118.6746 53.0764 38.2036 174.4598 66 K 4.3946 8.5126 118.4843 57.2021 32.3165 177.0361 67 K 4.4731 8.4238 117.6190 55.9457 31.5189 176.7816 68 G 4.0205 8.3161 106.0978 46.2470 0.0000 173.3191 69 Q 5.2975 8.3208 117.3998 54.0348 30.9823 174.9320 70 W 5.7392 8.9772 117.8809 54.9937 32.2994 173.7533 71 I 4.6326 8.8121 121.1323 59.3001 40.6297 174.4544 72 R 4.9297 8.7736 126.4834 54.3652 33.3856 174.3267 73 L 4.8170 8.9998 127.0231 53.6253 44.7059 175.0102 74 T 4.8915 8.4892 124.2101 62.2178 71.0363 174.9970 75 G 4.0469 7.8767 109.9152 46.5371 0.0000 171.4851 76 E 5.2237 8.2386 118.1001 54.5522 33.2534 175.8674 77 V 4.4250 8.0501 115.2843 59.3022 34.9733 175.0326 78 A 4.4357 7.8172 123.8280 49.6554 22.1456 175.2966 79 N 4.7647 8.7163 120.8167 53.7716 40.0834 173.7254 80 D 4.9858 8.9892 124.9239 52.8031 43.1203 175.2357 81 D 4.6026 9.0232 125.3538 55.0432 41.8053 177.7192 82 R 4.0120 8.1856 120.8825 56.0607 31.1078 177.3357 83 R 3.9443 8.7844 123.0996 59.6411 30.1357 178.6400 84 E 3.9820 8.0941 118.3450 59.1778 29.5715 178.9470 85 V 3.0144 7.4107 117.8920 65.5936 31.6464 178.0573 86 K 4.0081 7.8447 117.8385 59.3438 31.7180 179.1599 87 E 3.9361 8.5820 119.4079 59.4005 29.4085 179.1942 88 L 3.8997 7.8900 120.0860 57.8757 42.0618 178.6685 89 A 2.8793 7.8129 120.9902 55.0126 18.1477 179.7203 90 L 3.9224 7.8577 117.0308 57.4966 41.3613 179.3928 91 E 4.0302 7.5578 117.8879 58.7811 29.7017 178.4269 92 A 4.2727 8.2225 120.5468 53.3855 20.0285 177.7861 93 V 4.3985 7.9374 117.4436 59.6857 31.4996 174.0228 94 P 4.6391 0.0000 0.0000 64.5351 31.4354 178.4633 95 S 4.1483 8.2101 113.9807 61.5248 62.3450 176.3676 96 L 4.0706 7.8073 121.7203 57.4565 41.3436 179.1898 97 K 4.1639 7.8297 117.8088 59.0246 32.0112 177.8996 98 N 4.1620 7.5318 115.2165 55.5130 38.7389 174.3978 *100 Y 4.6791 7.5010 115.1493 57.8431 39.2852 174.0916 101 S 4.7124 8.7548 115.5434 56.4177 66.4318 175.6473 102 V 3.8214 8.4683 114.0720 63.9739 31.3872 177.1244 103 D 4.9831 7.9179 117.7389 54.0477 40.8700 176.5911 104 D 4.4425 8.1751 118.8616 53.7377 39.7033 177.8651 105 G 4.0508 8.3005 107.4705 46.1372 0.0000 173.7303 106 I 4.6444 7.6880 118.9765 61.3540 40.5671 175.9779 107 F 4.3278 9.2266 123.6696 58.4411 39.7126 174.5355 108 A 4.4969 8.2002 126.2290 50.1127 22.8159 175.1411 109 V 4.9691 8.0778 112.3001 59.6375 36.0972 174.7233 110 L 5.3769 9.1902 123.1212 53.1584 46.0917 175.0666 111 Y 4.8834 8.0956 119.7232 54.6570 41.5414 174.7379 112 F 4.3528 8.9031 120.6802 57.7784 38.6723 175.8568 113 T 4.3674 8.5556 115.9609 64.0847 69.7263 174.7530 114 K 4.4407 7.1920 119.0495 56.0218 35.7219 174.4640 115 G 4.3547 7.7239 107.4817 46.4776 0.0000 171.7039 116 E 4.9954 8.8479 119.5946 54.2566 33.6460 175.3953 117 G 3.7137 8.3228 110.7527 44.2957 0.0000 171.7277 118 T 4.9603 8.3510 117.7709 61.3817 72.6505 172.8845 119 I 4.4650 8.6349 127.0308 59.5972 39.7361 174.5823 120 C 4.8189 8.2721 124.4823 57.5972 31.5221 172.9598 121 S 5.0126 8.1030 116.8337 56.9527 66.3474 175.4751 *122 F 4.2090 8.4172 118.8483 56.6140 35.2990 176.1100 123 K 4.6841 8.5374 131.1735 57.1826 32.9864 174.1619 *126 N 4.5478 7.5528 116.7889 53.2685 40.3176 172.9586 127 E 4.6993 8.8293 124.8150 54.7495 31.5679 174.7111 128 T 5.1023 8.3298 116.4213 60.1912 71.9628 172.7632 129 F 4.9197 8.0131 116.2604 56.3024 41.7086 172.7388 130 S 5.1851 8.5321 115.1906 56.3808 65.6266 174.3440 131 L 4.2435 8.5966 122.9458 55.1107 40.9652 177.0200 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -9 H 8.30 4.86 0.00 3.57 3.59 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 H 8.11 4.01 0.00 3.25 3.43 0.00 5.92 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -7 H 9.20 4.28 0.00 3.29 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.32 4.08 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 -5 N 8.35 4.71 0.00 3.04 2.99 0.00 0.00 6.95 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 L 7.93 4.12 0.00 1.79 1.72 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 7.48 3.64 0.00 2.67 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 F 8.23 4.76 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 7.66 4.32 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.57 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 0 G 7.58 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -7 K 9.07 3.87 0.00 1.84 1.97 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.61 7.81 -6 R 8.13 4.07 0.00 2.14 1.89 0.00 2.21 0.00 0.00 3.34 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 -5 A 8.19 4.29 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 L 7.93 4.12 0.00 1.79 1.72 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 -3 E 7.78 3.44 0.00 1.70 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 -2 F 8.23 4.76 0.00 3.20 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 L 7.50 4.32 0.00 1.58 1.92 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0 K 7.54 4.26 0.00 1.61 1.67 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.33 7.81 10 E 7.88 4.06 0.00 1.75 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 11 C 7.70 4.30 0.00 3.31 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.68 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.46 4.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.90 0.00 0.00 14 F 8.34 5.32 0.00 3.38 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.63 4.99 0.00 3.18 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.83 5.08 0.00 1.21 1.05 0.81 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17 A 9.23 5.40 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.93 5.01 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 19 N 8.63 5.34 0.00 2.57 2.87 0.00 0.00 6.55 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 9.18 4.45 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 21 G 7.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.88 4.52 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.93 4.40 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 24 P 0.00 4.89 0.00 1.98 1.97 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 25 R 9.22 4.93 0.00 1.66 1.79 0.00 3.29 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 26 V 8.58 5.48 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.13 0.00 0.00 27 R 8.45 4.96 0.00 1.93 2.13 0.00 3.42 0.00 0.00 3.70 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 28 P 0.00 4.29 0.00 1.84 1.58 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 29 F 9.06 4.57 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.21 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.91 4.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.35 5.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.01 0.00 0.00 33 F 9.01 5.28 0.00 3.19 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.05 5.43 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 35 Y 9.18 4.56 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.77 3.93 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.54 0.00 37 G 8.66 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.21 4.63 0.00 1.89 1.66 0.00 1.75 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.20 7.81 39 L 8.34 5.04 0.00 1.76 1.56 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 9.09 5.29 0.00 1.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.98 5.25 2.40 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 1.29 0.00 0.00 42 V 8.58 5.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.09 0.00 0.00 43 S 8.63 4.68 0.00 4.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.57 5.41 0.00 3.00 2.91 0.00 0.00 5.75 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.04 3.54 0.00 2.37 2.27 0.00 0.00 6.83 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.45 4.42 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 47 K 7.85 4.41 0.00 2.00 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.72 1.69 7.81 48 K 8.71 3.97 0.00 1.85 1.92 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.56 7.81 49 C 8.13 4.16 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.26 4.24 0.00 3.16 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.22 4.16 0.00 2.08 1.88 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.81 7.81 52 Q 8.34 3.93 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.39 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 *54 I 7.68 3.80 1.78 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.31 0.80 0.00 0.00 55 Q 7.91 3.92 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 56 N 8.20 4.71 0.00 2.59 2.59 0.00 0.00 7.28 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.33 0.00 1.99 2.11 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 58 K 8.01 4.66 0.00 1.74 1.75 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.36 7.81 59 V 8.92 4.75 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.88 0.00 0.00 60 E 8.94 5.17 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 61 I 9.13 5.23 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.98 0.00 0.00 62 S 8.52 5.47 0.00 3.97 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.55 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 N 8.66 4.78 0.00 2.53 2.06 0.00 0.00 5.85 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.51 4.39 0.00 1.76 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.43 7.81 67 K 8.42 4.47 0.00 1.89 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.34 7.81 68 G 8.32 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.32 5.30 0.00 2.48 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 70 W 8.98 5.74 0.00 3.60 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.81 4.63 1.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.33 1.12 0.00 0.00 72 R 8.77 4.93 0.00 1.62 1.78 0.00 3.43 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 73 L 9.00 4.82 0.00 1.56 1.37 0.70 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.49 4.89 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 75 G 7.88 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.24 5.22 0.00 1.81 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 77 V 8.05 4.42 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.65 0.00 0.00 78 A 7.82 4.44 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.72 4.76 0.00 2.73 2.75 0.00 0.00 6.80 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.99 4.99 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 9.02 4.60 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.19 4.01 0.00 1.88 1.83 0.00 3.16 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 83 R 8.78 3.94 0.00 1.86 2.01 0.00 3.14 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 84 E 8.09 3.98 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 85 V 7.41 3.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.16 0.00 0.00 86 K 7.84 4.01 0.00 2.07 2.11 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.21 1.58 7.81 87 E 8.58 3.94 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 88 L 7.89 3.90 0.00 1.90 1.78 0.95 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.81 2.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.86 3.92 0.00 1.66 1.64 0.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.56 4.03 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 92 A 8.22 4.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.94 4.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.08 0.00 0.00 94 P 0.00 4.64 0.00 2.28 2.28 0.00 3.95 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.88 0.00 95 S 8.21 4.15 0.00 4.05 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.81 4.07 0.00 1.64 1.70 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.83 4.16 0.00 1.74 1.81 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.58 7.81 98 N 7.53 4.16 0.00 2.66 2.80 0.00 0.00 6.99 8.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *100 Y 7.50 4.68 0.00 2.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.75 4.71 0.00 3.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.47 3.82 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 103 D 7.92 4.98 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.18 4.44 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.30 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.69 4.64 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.14 1.07 0.00 0.00 107 F 9.23 4.33 0.00 2.89 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.20 4.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.08 4.97 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 1.07 0.00 0.00 110 L 9.19 5.38 0.00 1.55 1.39 1.12 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 8.10 4.88 0.00 2.34 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.90 4.35 0.00 2.86 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.56 4.37 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 114 K 7.19 4.44 0.00 1.79 1.89 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 115 G 7.72 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.85 5.00 0.00 1.67 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 117 G 8.32 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.35 4.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 119 I 8.63 4.47 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.57 0.69 0.00 0.00 120 C 8.27 4.82 0.00 1.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.10 5.01 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 F 8.42 4.21 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.54 4.68 0.00 2.09 1.80 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.20 0.76 7.81 *126 N 7.55 4.55 0.00 2.52 2.67 0.00 0.00 6.71 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.83 4.70 0.00 2.01 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 128 T 8.33 5.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 129 F 8.01 4.92 0.00 3.03 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.53 5.19 0.00 3.74 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.60 4.24 0.00 1.48 1.54 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.